Advances in Quantum Chemistry

• Efficiency of the hidden fermion determinant states Ansatz in the light of different complexity measures

  2025 Physical Review Research article Physics and Astronomy Quantum many-body systems Open access

  2

  citations
• Machine Learning-based estimation and explainable artificial intelligence-supported interpretation of the critical temperature from magnetic ab initio Heusler alloys data

  2025 Physical Review Materials article Materials Science Machine Learning in Materials Science Open access

  9

  citations
• Automated Bonding Analysis with Crystal Orbital Hamilton Populations

  2022 ChemPlusChem article Materials Science Machine Learning in Materials Science Open access

  61

  citations
• Automated Bonding Analysis with Crystal Orbital Hamilton Populations

  2022 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

  1

  citations
• Crystal Orbital Bond Index: Covalent Bond Orders in Solids

  2021 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

  392

  citations
• The DIRAC code for relativistic molecular calculations

  2020 LillOA (Université de Lille (University Of Lille)) article Physics and Astronomy Advanced Chemical Physics Studies Open access

  83

  citations

6 results